2-[[4-[[[1-(cyclohexylmethyl)cyclobutyl]-propan-2-yl-amino]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[[4-[[[1-(cyclohexylmethyl)cyclobutyl]-propan-2-yl-amino]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[[4-[[[1-(cyclohexylmethyl)cyclobutyl]-isopropyl-amino]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[[4-[[[1-(cyclohexylmethyl)cyclobutyl]-propan-2-ylamino]methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[[4-[[[1-(cyclohexylmethyl)cyclobutyl]-propan-2-ylamino]methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[[4-[[[1-(cyclohexylmethyl)cyclobutyl]-isopropyl-amino]methyl]-2-(o-tolyl)benzoyl]amino]-4-mesyl-butyric acid Formula: C34H48N2O5S MolecularWeight: 596.82032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(C(C)C)C3(CCC3)CC4CCCCC4)C(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(C(C)C)C3(CCC3)CC4CCCCC4)C(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C34H48N2O5S/c1-24(2)36(34(18-10-19-34)22-26-12-6-5-7-13-26)23-27-15-16-29(30(21-27)28-14-9-8-11-25(28)3)32(37)35-31(33(38)39)17-20-42(4,40)41/h8-9,11,14-16,21,24,26,31H,5-7,10,12-13,17-20,22-23H2,1-4H3,(H,35,37)(H,38,39)